Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 9/20 | 0.52 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9624616 | 0.89 | CYP2D6 (0.44) | SIGMAR1KDM4ETDP1 | |
| SCHEMBL9624316 | 0.85 | GNRHR (0.45) | SIGMAR1KDM4ETDP1 | |
| SCHEMBL10668796 | 0.82 | HCN4 (0.68) | KDM4EALDH1A1TDP1HCRTR2 | |
| Hydrochloric Acid SCHEMBL10667054 | 0.82 | ALOX15 (0.69) | KDM4EALDH1A1TDP1HCRTR2 | |
| SCHEMBL9624421 | 0.81 | ABCB1 (0.54) | ABCB1TMEM97SIGMAR1 | |
| SCHEMBL9624791 | 0.81 | DRD3 (0.56) | ABCB1KDM4EALDH1A1TDP1 | |
| SCHEMBL9624683 | 0.80 | ABCB1 (0.55) | ABCB1 | |
| SCHEMBL9624977 | 0.79 | ABCB1 (0.54) | ABCB1TMEM97SIGMAR1HCRTR2 | |
| SCHEMBL10521178 | 0.78 | ABCB1 (0.55) | ABCB1SIGMAR1 | |
| SCHEMBL13555681 | 0.77 | ABCB1 (0.47) | ABCB1TMEM97SIGMAR1GRIN1GRIN2B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| US-4912115-A | Cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1990-03-27 | — | — | US | disclosed |
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |